PMC:4706832 / 23652-24832 JSONTXT

{"target":"http://pubannotation.org/docs/sourcedb/PMC/sourceid/4706832","sourcedb":"PMC","sourceid":"4706832","source_url":"https://www.ncbi.nlm.nih.gov/pmc/4706832","text":"Drug score and toxicity\nThe information assessed in Table 3 shows that the 57 lead compounds should be non-mutagenic and non-tumorigenic impacts when run through the mutagenicity assessment system comparable with standard drugs used. The compounds such as CID: 11662380, CID: 58659189, CID: 58659191, and CID: 58659192 failed to pass through the Osiris program and showed mutagenic and tumorigenic effects. We have also analyzed the overall drug score (DS) for all the lead compounds and compared with that of crizotinib. The score consolidates drug- likeness, miLogP, logS, molecular weight, and toxicity risks. The DS score could also be an important parameter to judge the compound’s potential to meet all requirements to qualify for a drug. The result is demonstrated in Table 3. The reported lead compounds demonstrated moderate to good DS as compared with standard drug crizotinib. In our dataset, 17 lead compounds showed similar drug score as that of crizotinib. About five compounds such as CID: 11690598, CID: 68563708, CID: 58659130, CID: 11676204 and CID: 11575401 showed a drug score of 0.6 and above. Therefore, further examination was carried out with 57 compounds.","divisions":[{"label":"title","span":{"begin":0,"end":23}}],"tracks":[]}